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source: trunk/expgui @ 82

Last change on this file since 82 was 82, checked in by toby, 13 years ago
# on 1999/04/08 20:43:10, toby did: Add Id to top of file
Property rcs:author set to `toby` Property rcs:date set to `1999/04/08 20:43:10` Property rcs:lines set to `+2 -1` Property rcs:rev set to `1.14` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 108.7 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 82 2009-12-04 23:00:06Z toby $
3	set expgui(Revision) {$Revision: 82 $ $Date: 2009-12-04 23:00:06 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from
9	#
10	# fixup documentation and you are done!
11	#
12	# global background editing & profile work differently: should both
13	# start out blank with a "load from option"?
14	#
15	# idea:
16	# a scroll list for all histogram refinement flags ; click on takes you to the
17	# appropriate menu.
18	#
19	# to allow "global" access on phase page
20	# change buttons from radio to multiple
21	# -- or display all 9 cell flag/damps and all atoms
22	# make editMultipleRecords work with multiple phases, also cell flag/damp
23	# blank cell entries
24	# add phase to atom number in listing
25	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
26
27	if {$tcl_version < 8.0} {
28	tk_dialog .expFileErrorMsg "Version Error" \
29	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
30	exit
31	}
32
33	if {$argv != ""} {
34	set expgui(expfile) $argv
35	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
36	append expgui(expfile) ".EXP"
37	}
38	if {[file dirname $expgui(expfile)] == "."} {
39	set expgui(expfile) [string toupper $expgui(expfile)]
40	} else {
41	set expgui(expfile) [file join \
42	[file dirname $expgui(expfile)] \
43	[file tail [string toupper $expgui(expfile)]]
44	]
45	}
46	} else {
47	set expgui(expfile) {}
48	}
49
50	set expgui(debug) 0
51	catch {if $env(DEBUG) {set expgui(debug) 1}}
52	#set expgui(debug) 1
53
54	set expgui(havetix) 1
55	# for debugging non-Tix version set environment variable NOTIX
56	catch {if $env(NOTIX) {set expgui(havetix) 0}}
57	if $expgui(havetix) {
58	if [catch {package require Tix}] {set expgui(havetix) 0}
59	}
60	# default is archive = on
61	set expgui(archive) 1
62	# save the name of the wish executable
63	set wishshell [info nameofexecutable]
64	# misc constants
65	set expgui(coordfont) "--courier-bold-r-normal--12-"
66	set expgui(histfont) "--courier-bold-r-normal--12-"
67	set liveplot(hst) 1
68	set liveplot(legend) 1
69	set expgui(filesort) 1
70
71	#=============================================================================
72	# Store names of profile terms.
73	array set expgui {
74	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
75	sig-2 rsca s1ec s2ec }
76	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
77	gam-2 switch ptec stec difc difa zero }
78	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
79	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
80	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
81	rstr rsta rsca eta}
82	prof-C-1 {CW-type U V W asym F1 F2 }
83	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
84	L11 L22 L33 L12 L13 L23 }
85	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
86	L11 L22 L33 L12 L13 L23 }
87	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
88	}
89	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
90	#----------------------------------------------------------------
91	# where are we?
92	set expgui(script) [info script]
93	# translate links -- go six levels deep
94	foreach i {1 2 3 4 5 6} {
95	if {[file type $expgui(script)] == "link"} {
96	set link [file readlink $expgui(script)]
97	if { [file pathtype $link] == "absolute" } {
98	set expgui(script) $link
99	} {
100	set expgui(script) [file dirname $expgui(script)]/$link
101	}
102	} else {
103	break
104	}
105	}
106	# fixup relative paths
107	if {[file pathtype $expgui(script)] == "relative"} {
108	set expgui(script) [file join [pwd] $expgui(script)]
109	}
110	set expgui(scriptdir) [file dirname $expgui(script) ]
111	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
112	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
113	#----------------------------------------------------------------
114	# fetch EXP file processing routines
115	source [file join $expgui(scriptdir) readexp.tcl]
116	# commands for running GSAS programs
117	source [file join $expgui(scriptdir) gsascmds.tcl]
118	# contents of GSAS menus
119	source [file join $expgui(scriptdir) gsasmenu.tcl]
120	#---------------------------------------------------------------------------
121	# override options with locally defined values
122	if [file exists [file join $expgui(scriptdir) localconfig]] {
123	source [file join $expgui(scriptdir) localconfig]
124	}
125	if [file exists [file join ~ .gsas_config]] {
126	source [file join ~ .gsas_config]
127	}
128	#---------------------------------------------------------------------------
129	if {$expgui(expfile) != ""} {
130	if ![file exists $expgui(expfile)] {
131	update
132	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
133	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
134	error 0 "Create" "Open other"]
135	if $ans {set expgui(expfile) {}}
136	}
137	}
138	if {$expgui(expfile) == ""} {
139	# center the parent window because the getExpFileName window
140	# will be centered above it.
141	wm withdraw .
142	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
143	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
144	wm geom . +$x+$y
145	wm deiconify .
146	# windows needed this update before when using tk_getOpenFile.
147	# I am not sure it is still needed.
148	update
149	#
150	set expgui(expfile) [getExpFileName old]
151	}
152	if {$expgui(expfile) == ""} exit
153	# you've been warned this .EXP does not exist!
154	if ![file exists $expgui(expfile)] {
155	# create an "empty" exp file
156	createexp $expgui(expfile) \
157	[getstring "title for experiment $expgui(expfile)" 60 0]
158	}
159	catch {cd [string trim [file dirname $expgui(expfile)]]}
160
161	#
162	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
163	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
164	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
165	# load exp file and set up dialogs
166	proc loadexp {expfile} {
167	global expgui expmap entryvar entrycmd
168	global exparray
169	catch {
170	unset exparray
171	}
172	expload $expfile
173	set expgui(changed) 0
174	mapexp
175	set expgui(expModifiedLast) [file mtime $expfile]
176	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
177	# set the window/icon title
178	wm title . $expfile
179	set expgui(titleunchanged) 1
180	wm iconname . [file tail $expfile]
181
182	# set the number of phases on the phase page
183	setphases
184
185	# disable the "global options" that don't make sense based
186	# on the histograms present
187	foreach num {1 2 3 4 5} {
188	set flag($num) 0
189	}
190	foreach h $expmap(powderlist) {
191	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
192	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
193	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
194	[histinfo $h lam2] != 0.0} {set flag(3) 1}
195	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
196	[histinfo $h lam2] == 0.0} {set flag(4) 1}
197	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
198	}
199	foreach num {1 2 3 4 5} \
200	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
201	"Energy Disp Xray"} {
202	if $flag($num) {
203	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
204	} else {
205	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
206	}
207	}
208	# disable traces on entryvar until we are ready
209	set entrycmd(trace) 0
210
211	# propogate changes on the least squares page
212	set entryvar(cycles) [expinfo cycles]
213	set entrycmd(cycles) "expinfo cycles"
214	set expgui(globalmode) 0
215	set expgui(printopt) "Print Options ([expinfo print])"
216	set entryvar(title) [expinfo title]
217	global printopts
218	foreach num [array names printopts] {
219	set entrycmd(printopt$num) "printsetting $num"
220	set entryvar(printopt$num) [printsetting $num]
221	}
222	# enable traces on entryvar
223	set entrycmd(trace) 1
224	# set fo extaction on LS page
225	SetupExtractHist
226
227	# update the histogram list & the page, if shown
228	sethistlist
229
230	# update the atoms display
231	# DisplayAllAtoms noreset
232	SelectOnePhase $expgui(curPhase)
233
234	# start checking for external changes
235	afterawhile
236	}
237
238	# called to reread the .EXP file -- use after another program
239	# has changed the experiment file
240	proc rereadexp {expfile} {
241	global expgui
242	if $expgui(changed) {
243	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
244	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
245	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
246	switch $decision {
247	0 { savearchiveexp }
248	1 { }
249	2 { return }
250	}
251	}
252	loadexp $expgui(expfile)
253	}
254
255	proc SaveAsFile {} {
256	global expgui
257	set newexpfile [getExpFileName new]
258	if {$newexpfile == ""} return
259	expwrite $newexpfile
260	set expgui(expfile) $newexpfile
261	catch {cd [string trim [file dirname $expgui(expfile)]]}
262	set expgui(changed) 0
263	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
264	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
265	# set the window/icon title
266	wm title . $expgui(expfile)
267	set expgui(titleunchanged) 1
268	wm iconname . [file tail $expgui(expfile)]
269	}
270
271	# called to read a different .EXP file
272	proc readnewexp {} {
273	global expgui expmap
274	if $expgui(changed) {
275	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
276	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
277	{} 0 "Save and read" "Read without Save" "Cancel read command"]
278	switch $decision {
279	0 { savearchiveexp }
280	1 { }
281	2 { return }
282	}
283	}
284	set newexpfile [getExpFileName old]
285	if {$newexpfile == ""} return
286
287	if ![file exists $newexpfile] {
288	# you've been warned this .EXP does not exist!
289	# create an "empty" exp file
290	createexp $newexpfile \
291	[getstring "title for experiment $newexpfile" 60 0]
292	}
293	set expgui(expfile) $newexpfile
294	catch {cd [string trim [file dirname $expgui(expfile)]]}
295	loadexp $expgui(expfile)
296
297	# select the 1st phase
298	SelectOnePhase [lindex $expmap(phaselist) 0]
299	# select the first histogram in the list by default (if there are any)
300	if {[llength $expmap(histlistboxcontents)] > 0} {
301	set expgui(curhist) 0
302	} else {
303	set expgui(curhist) {}
304	}
305	if !$expgui(havetix) {
306	RaisePage lsFrame
307	} else {
308	.n raise lsPane
309	set expgui(pagenow) lsFrame
310	}
311	}
312
313	#------------- set up data read/write layer ----------------------
314	# trace routine on entryvar
315	proc entvartrace {array elem action} {
316	global expgui entrycmd entryvar
317	if !$entrycmd(trace) return
318
319	catch {
320	if {$entrycmd($elem) == ""} return
321	incr expgui(changed)
322	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
323	if {$entrycmd($elem) == ""} return
324	if [catch {
325	eval $entrycmd($elem) set [list $entryvar($elem)]
326	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
327	after idle {DisplayAllAtoms noreset}
328	}
329	} errmsg] {puts "entvartrace error: $errmsg"}
330	}
331	}
332
333	# disable traces on entryvar until we are ready
334	set entrycmd(trace) 0
335	trace variable entryvar w entvartrace
336
337	#
338	#
339	#
340	##############################################################################
341	##### #####################################################
342	##### PROCEDURES SECTION #####################################################
343	##### #####################################################
344	##############################################################################
345	# reset routine is used for debugging
346	proc reset {} {
347	global expgui script argv
348	set script $expgui(script)
349	set argv $expgui(expfile)
350	# remove traces
351	global entryvar
352	foreach cmd [trace vinfo entryvar] {
353	eval trace vdelete entryvar $cmd
354	}
355	global expgui
356	foreach cmd [trace vinfo expgui(backterms)] {
357	eval trace vdelete entryvar $cmd
358	}
359	foreach cmd [trace vinfo expgui(backtype)] {
360	eval trace vdelete entryvar $cmd
361	}
362	foreach a {
363	exparray expmap expgui entryvar entrycmd
364	expgui_menulist expgui_cmdlist expgui_helplist
365	} {
366	global $a
367	catch {unset $a}
368	}
369	foreach w [winfo children .] {
370	destroy $w
371	}
372
373	uplevel #0 {source $script}
374	}
375
376	# save some of the global options in ~/.gsas_config
377	proc SaveOptions {} {
378	global expgui env tcl_platform
379	set fp [open [file join ~ .gsas_config] a]
380	puts $fp "set expgui(archive) $expgui(archive)"
381	puts $fp "set expgui(asorttype) $expgui(asorttype)"
382	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
383	puts $fp "set expgui(filesort) $expgui(filesort)"
384	if {$tcl_platform(platform) != "windows"} {
385	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
386	}
387	close $fp
388	}
389
390	proc About { } {
391	global expgui expmap
392	tk_dialog .about {About...} \
393	"EXPGUI\n\
394	Jonathan Wasserman and Brian Toby\n\
395	NIST Center for Neutron Research\n\n\
396	1998, Not subject to copyright\n\n\
397	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
398	Generalized Structure Analysis System (GSAS)\n\
399	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
400	" \
401	info 0 OK
402	}
403
404	# wait until idle
405	proc afterawhile {} {
406	# cancel any other instances of this loop
407	after cancel afterawhile
408	after cancel whenidle
409	after cancel whenidle
410	after idle whenidle
411	}
412
413	proc whenidle {} {
414	global expgui
415	if $expgui(titleunchanged) {
416	if {$expgui(changed) != 0} {
417	wm title . "$expgui(expfile) (modified)"
418	set expgui(titleunchanged) 0
419	}
420	}
421	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
422	if {$expgui(changed) == 0} {
423	set ans [tk_dialog .expFileErrorMsg "Reload?" \
424	"File [file tail $expgui(expfile)] has been modified by another program. \
425	Do you want to load the newer version or lose the modifications \
426	by editing the current version?" \
427	warning 0 "Load new" "Continue editing"]
428	} else {
429	set ans [tk_dialog .expFileErrorMsg "Reload?" \
430	"File [file tail $expgui(expfile)] has been modified by another program \
431	and you have made $expgui(changed) changes to this version. \
432	Do you want to load the newer version or lose the modifications \
433	by continuing to edit the current version?" \
434	warning 0 "Load new" "Continue editing" "Save edited version"]
435	}
436	if {$ans == 0} {
437	loadexp $expgui(expfile)
438	} elseif {$ans == 1} {
439	# reset the time to the next version
440	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
441	} elseif {$ans == 2} {
442	savearchiveexp
443	}
444	}
445	after 2000 afterawhile
446	}
447	# -------- called to confirm before exiting
448	proc catchQuit {} {
449	if {[confirmBeforeSave] == "Continue"} {
450	destroy .
451	}
452	}
453	# save the .EXP file before exiting?
454	proc confirmBeforeSave {} {
455	global expgui
456	if !$expgui(changed) {
457	return "Continue"
458	}
459	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
460	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
461	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
462	switch $decision {
463	0 { savearchiveexp; return "Continue" }
464	1 { return "Continue" }
465	2 { return "Cancel" }
466	}
467	}
468
469	proc archiveexp {} {
470	global expgui tcl_platform
471	catch {
472	set expnam [file rootname $expgui(expfile)]
473	if {$tcl_platform(platform) == "windows"} {
474	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
475	# archive w/o pkzip
476	set files [glob -nocomplain ${expnam}!*.exp]
477	if {$files == ""} {
478	set num -1
479	} else {
480	set file [lindex [lsort -decreasing $files] 0]
481	regexp {!([0-9]+)\.EXP} [string toupper $file] a num
482	}
483	set file $expnam![format "%3.3d" [incr num]].EXP
484	file copy $expnam.EXP $file
485	set fp [open $expnam.lst a]
486	puts $fp "\n--------------------------------------------------------------"
487	puts $fp "Archiving $expnam.EXP as $file"
488	puts $fp "--------------------------------------------------------------\n"
489	close $fp
490	} else {
491	# archive with PKZIP
492	# need to limit expnam to 8 characters
493	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
494	# PKZIP can't handle long dir names either
495	cd [set dir [file dirname $expnam]]
496	set num -1
497	# get the versions from the listing
498	if [file exists $sexp.zip] {
499	set fp [open "\| [file join $expgui(scriptdir) pkzip.exe] -vb $sexp" r]
500	while {[gets $fp line] >= 0} {
501	regexp "$sexp\.0?0?(\[0-9\]+)" [string toupper $line] junk n
502	catch {if {$n > $num} {set num $n}}
503	}
504	close $fp
505	}
506	incr num
507	set file $sexp.[format "%3.3d" $num]
508	file copy -force $expnam.EXP $file
509	exec [file join $expgui(scriptdir) pkzip.exe] -m $expnam $file > x.x &
510	set fp [open $expnam.lst a]
511	puts $fp "\n--------------------------------------------------------------"
512	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
513	puts $fp "--------------------------------------------------------------\n"
514	close $fp
515	}
516	} else {
517	set files [glob -nocomplain $expnam.EXP.*]
518	if {$files == ""} {
519	set file $expnam.EXP.000
520	} else {
521	set file [lindex [lsort -decreasing $files] 0]
522	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
523	incr number
524	set file $expnam.EXP.[format "%3.3d" $number]
525	}
526	exec cp $expgui(expfile) $file
527	if [catch {exec gzip $file}] {
528	exec echo "\n----------------------------------------------" >> $expnam.LST
529	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
530	exec echo "----------------------------------------------\n" >> $expnam.LST
531	} else {
532	exec echo "\n----------------------------------------------" >> $expnam.LST
533	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
534	exec echo "----------------------------------------------\n" >> $expnam.LST
535	}
536	}
537	} errmsg
538	if {$errmsg != ""} {
539	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
540	}
541	}
542
543	# save and optionally archive the expfile
544	proc savearchiveexp {} {
545	global expgui expmap
546	if !$expgui(changed) return
547	if $expgui(archive) archiveexp
548	# add a history record
549	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
550	# now save the file
551	expwrite $expgui(expfile)
552	set expgui(changed) 0
553	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
554	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
555	wm title . $expgui(expfile)
556	set expgui(titleunchanged) 1
557	}
558
559	# set the number of phases on the phase page
560	proc setphases {} {
561	global expgui expmap
562	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
563	foreach num $expmap(phaselist) {
564	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
565	-command "SelectOnePhase $num"] -side left
566	}
567	}
568
569	# Procedure to respond to changes the phase.
570	# This loads the "phases" widgets with data corresponding to the selected phase.
571	proc SelectOnePhase {num} {
572	global entryvar entrycmd expmap expgui
573	foreach n $expmap(phaselist) {
574	if {$n == $num} {
575	$expgui(phaseFrame).top.ps.$num config -relief sunken
576	} else {
577	$expgui(phaseFrame).top.ps.$n config -relief raised
578	}
579	}
580	set crsPhase $num
581	# no phase is selected
582	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
583	# disable traces on entryvar
584	set entrycmd(trace) 0
585	set entrycmd(phasename) ""
586	set entryvar(phasename) ""
587	foreach ent {a b c alpha beta gamma cellref celldamp} {
588	set entrycmd($ent) ""
589	set entryvar($ent) ""
590	}
591	set expgui(curPhase) {}
592	# enable traces on entryvar
593	set entrycmd(trace) 1
594	return
595	}
596
597	set expgui(curPhase) $crsPhase
598	# we have a phase
599
600	# disable traces on entryvar for right now
601	set entrycmd(trace) 0
602
603	##########################################################
604	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
605	##########################################################
606	# phase title
607	set entrycmd(phasename) "phaseinfo $crsPhase name"
608	set entryvar(phasename) [phaseinfo $crsPhase name]
609	# cell parameters & flags
610	foreach ent {a b c alpha beta gamma cellref celldamp} {
611	set entrycmd($ent) "phaseinfo $crsPhase $ent"
612	set entryvar($ent) [phaseinfo $crsPhase $ent]
613	}
614
615	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
616	# initialize to diasbled
617	DisplayAtom 0 0
618	DisplayU 0 0
619	DisplayRefFlags 0 0
620	$expgui(EditingAtoms) config -text ""
621
622	DisplayAllAtoms
623
624	# enable traces on entryvar now
625	set entrycmd(trace) 1
626	}
627
628	set expgui(noreenterDisplayAllAtoms) 0
629	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
630	proc DisplayAllAtoms {"mode reset"} {
631	global entryvar entrycmd expmap expgui
632	# if it does not show, dont bother
633	if {$expgui(pagenow) != "phaseFrame"} return
634	if {$expgui(curPhase) == ""} return
635	if $expgui(noreenterDisplayAllAtoms) return
636
637	set expgui(noreenterDisplayAllAtoms) 1
638	if {$mode != "reset"} {
639	# save the scrolled position
640	set pos [lindex [$expgui(atomlistbox) yview] 0]
641	} else {
642	# this is a reset -- clear the selected atoms list
643	set expgui(selectedatomlist) {}
644	}
645	$expgui(atomlistbox) delete 0 end
646	# loop over atoms
647	set maxline I
648	set phase $expgui(curPhase)
649	set atomlist {}
650	if {$expgui(asorttype) == "type"} {
651	# sort on atom type
652	foreach atom $expmap(atomlist_$phase) {
653	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
654	}
655	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
656	} elseif {$expgui(asorttype) == "number"} {
657	# sort on atom number
658	foreach atom $expmap(atomlist_$phase) {
659	lappend atomlist "$atom $atom $phase"
660	}
661	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
662	} elseif {$expgui(asorttype) == "x"} {
663	# sort on x
664	foreach atom $expmap(atomlist_$phase) {
665	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
666	}
667	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
668	} elseif {$expgui(asorttype) == "y"} {
669	# sort on y
670	foreach atom $expmap(atomlist_$phase) {
671	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
672	}
673	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
674	} elseif {$expgui(asorttype) == "z"} {
675	# sort on z
676	foreach atom $expmap(atomlist_$phase) {
677	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
678	}
679	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
680	} else {
681	error "Bad expgui(asorttype = $expgui(asorttype)"
682	}
683
684	foreach tuple $expmap(atomlistboxcontents) {
685	set atom [lindex $tuple 0]
686	set phase [lindex $tuple 2]
687	set refflag {}
688	foreach type {x u f} {
689	if {[atominfo $phase $atom ${type}ref]} {
690	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
691	} else {
692	append refflag " [atominfo $phase $atom ${type}damp] "
693	}
694	}
695	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
696	$atom \
697	[atominfo $phase $atom label] \
698	[atominfo $phase $atom type] \
699	$refflag \
700	[atominfo $phase $atom x] \
701	[atominfo $phase $atom y] \
702	[atominfo $phase $atom z] \
703	[atominfo $phase $atom frac]
704	]
705	# add temperature factors (iso/anoiso)
706	if {[atominfo $phase $atom temptype] == "A"} {
707	set maxline A
708	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
709	[atominfo $phase $atom U11] \
710	[atominfo $phase $atom U22] \
711	[atominfo $phase $atom U33] \
712	[atominfo $phase $atom U12] \
713	[atominfo $phase $atom U23] \
714	[atominfo $phase $atom U13]
715	]
716	} else {
717	append line [format " %9.5f" \
718	[atominfo $phase $atom Uiso]
719	]
720	}
721	$expgui(atomlistbox) insert end $line
722	}
723	$expgui(atomtitle) delete 0 end
724	if {$maxline == "A"} {
725	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
726	" name " "type " "ref/damp " "fractional coordinates " \
727	" Occupancy" \
728	"Uiso/Uij "]
729	} else {
730	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
731	" name " "type " "ref/damp " "fractional coordinates " \
732	" Occupancy" \
733	"Uiso"]
734	}
735	if {$mode != "reset"} {
736	# restore the selected items
737	foreach i $expgui(selectedatomlist) {
738	$expgui(atomlistbox) selection set $i
739	}
740	# restore the last scrolled position
741	$expgui(atomlistbox) yview moveto $pos
742	}
743	set expgui(noreenterDisplayAllAtoms) 0
744	}
745
746	# Procedure to select all atoms in response to a right-click
747	proc SelectAllAtoms {} {
748	global expgui
749	$expgui(atomlistbox) selection set 0 end
750	# call editRecord in case trace was called before the selection was made
751	editRecord
752	}
753
754	# Procedure to respond to left mouse release in the atoms Pane
755	proc editRecord { args } {
756	global entrycmd expgui
757	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
758	# disable traces on entryvar for right now
759	set entrycmd(trace) 0
760
761	if {[llength $expgui(selectedatomlist)] == 0} {
762	puts "How did this happen: [$expgui(atomlistbox) curselection]"
763	} elseif {[llength $expgui(selectedatomlist)] == 1} {
764	editOneRecord $expgui(selectedatomlist)
765	} else {
766	editMultipleRecords $expgui(selectedatomlist)
767	}
768	# reenable traces on entryvar
769	set entrycmd(trace) 1
770	# repaint the atoms box in case anything was changed
771	# DisplayAllAtoms noreset
772	}
773
774	proc editOneRecord { AtomIndex } {
775	global expmap expgui
776	# get atom number & phase
777	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
778	set atomnum [lindex $tuple 0]
779	set p [lindex $tuple 2]
780	DisplayU $atomnum $p
781	DisplayAtom $atomnum $p
782	DisplayRefFlags $atomnum $p
783	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
784	}
785
786	# this will not work for a multi-phase list of atoms (yet)
787	proc editMultipleRecords { AtomIndexList } {
788	global expmap expgui
789	set numberList {}
790	# current phase
791	set p $expgui(curPhase)
792	foreach AtomIndex $AtomIndexList {
793	# get atom number & phase
794	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
795	lappend numberList [lindex $tuple 0]
796	# set p [lindex $tuple 2]
797	}
798	# this needs to track by phase
799	$expgui(EditingAtoms) config -text \
800	"Set refinement options: atoms [CompressList $numberList]"
801	DisplayU 0 0
802	DisplayAtom 0 0
803	# this needs to track by phase
804	DisplayRefFlags $numberList $p
805	}
806
807	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
808	# becomes "1-4,6,7,13-15,19"
809	proc CompressList {numberList} {
810	# format the number list to save space
811	set lastnum -99
812	set flist {}
813	set count 0
814	foreach num [lsort -integer $numberList] {
815	set next [expr $lastnum+1]
816	if {$num != $next} {
817	if {$count == 0 && $flist != ""} {
818	append flist ",$num"
819	} elseif {$count == 1 && $flist != ""} {
820	append flist ",$lastnum,$num"
821	} elseif {$flist != ""} {
822	append flist "-$lastnum,$num"
823	} else {
824	append flist "$num"
825	}
826	set lastnum $num
827	set count 0
828	} else {
829	incr count
830	incr lastnum
831	}
832	}
833	if {$count == 1 && $flist != ""} {
834	append flist ",$lastnum"
835	} elseif {$flist != "" && $count > 1} {
836	append flist "-$lastnum"
837	}
838	return $flist
839	}
840
841	# Procedure to display Isotropic or Anisotropic temperature factors
842	# Changes the display to one entry widget for Isotropic motion OR
843	# 6 entry widgets for Anisotropic motion in Frame3.
844	# or disables the widet entirly if atom = 0
845	proc DisplayU { atomnum p} {
846	global expgui entryvar entrycmd
847	if {$atomnum == 0} {
848	set iOrA disable
849	} else {
850	set iOrA [atominfo $p $atomnum temptype]
851	}
852
853	set firstbox [lindex $expgui(anisolabels) 0]
854	if { $iOrA == "A" } {
855	$firstbox config -text "U11 "
856	foreach item $expgui(anisolabels) {
857	$item config -fg black
858	}
859	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
860	set entrycmd($var) "atominfo $p $atomnum $var"
861	set entryvar($var) [eval $entrycmd($var)]
862	$item config -fg black -state normal -bg white
863	}
864	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
865	foreach item $expgui(anisolabels) {
866	# $item config -fg grey
867	$item config -fg beige
868	}
869	foreach item [lrange $expgui(anisoentry) 1 end] \
870	var {U22 U33 U12 U13 U23} {
871	set entrycmd($var) ""
872	set entryvar($var) ""
873	$item config -fg beige -bg beige -state disabled
874	}
875	if { $iOrA == "disable"} {
876	set entrycmd($var) ""
877	set entryvar($var) ""
878	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
879	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
880	} else {
881	set entrycmd(U11) "atominfo $p $atomnum Uiso"
882	set entryvar(U11) [eval $entrycmd(U11)]
883	$firstbox config -text Uiso -fg black
884	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
885	}
886	}
887	}
888
889	# need to think about multiple phases
890
891	# Procedure to display refinement flags
892	proc DisplayRefFlags { atomnum p} {
893	global expgui entryvar entrycmd
894	if {$atomnum == 0} {
895	foreach label $expgui(atomreflbl) {
896	$label config -fg beige
897	}
898	foreach entry $expgui(atomref) {
899	$entry config -state disabled -fg beige -bg beige
900	}
901	return
902	}
903	foreach label $expgui(atomreflbl) {
904	$label config -fg black
905	}
906	foreach entry $expgui(atomref) {
907	$entry config -state normal -fg black -bg beige
908	}
909	foreach var {xref uref fref xdamp udamp fdamp} {
910	set entrycmd($var) "atominfo $p [list $atomnum] $var"
911	set entryvar($var) [eval $entrycmd($var)]
912	}
913	}
914
915	# Procedure to display an atom in the atom edit boxes
916	proc DisplayAtom { atomnum p} {
917	global expgui entryvar entrycmd
918	if {$atomnum == 0} {
919	foreach label $expgui(atomlabels) {
920	$label config -fg beige
921	}
922	foreach entry $expgui(atomentry) {
923	$entry config -state disabled -fg beige -bg beige
924	}
925	return
926	}
927	foreach label $expgui(atomlabels) {
928	$label config -fg black
929	}
930	foreach entry $expgui(atomentry) {
931	$entry config -state normal -fg black -bg white
932	}
933	foreach var {x y z label frac } {
934	set entrycmd($var) "atominfo $p $atomnum $var"
935	set entryvar($var) [eval $entrycmd($var)]
936	}
937	}
938
939	# update the histogram list
940	# to do: show histogram ref flags?
941	proc sethistlist {} {
942	global expgui expmap
943	foreach lbox $expgui(HistSelectList) {
944	$lbox.title delete 0 end
945	$lbox.lbox delete 0 end
946	if {$expgui(globalmode) != 0} {
947	$lbox.lbox config -selectmode extended
948	} else {
949	$lbox.lbox config -selectmode browse
950	}
951	}
952	# disable the unallowed pages in all mode
953	if {$expgui(globalmode) == 6} {
954	foreach pair $expgui(GlobalModeAllDisable) {
955	if {$expgui(pagenow) == [lindex $pair 0]} {
956	if !$expgui(havetix) {
957	RaisePage lsFrame
958	} else {
959	.n raise lsPane
960	set expgui(pagenow) lsFrame
961	}
962	}
963	eval [lindex $pair 1] -state disabled
964	}
965	} else {
966	foreach pair $expgui(GlobalModeAllDisable) {
967	eval [lindex $pair 1] -state normal
968	}
969	}
970	set histlist {}
971	if {$expgui(hsorttype) == "type"} {
972	# sort on histogram type
973	foreach h [lsort -integer -increasing $expmap(powderlist)] {
974	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
975	}
976	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
977	} elseif {$expgui(hsorttype) == "number"} {
978	# sort on histogram number
979	foreach h [lsort -integer -increasing $expmap(powderlist)] {
980	lappend histlist "$h $h"
981	}
982	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
983	} elseif {$expgui(hsorttype) == "bank"} {
984	# sort on original bank number
985	foreach h [lsort -integer -increasing $expmap(powderlist)] {
986	lappend histlist "$h [histinfo $h bank]"
987	}
988	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
989	} elseif {$expgui(hsorttype) == "angle"} {
990	# sort on wavelength (CW) or angle (E disp.)
991	foreach h [lsort -integer -increasing $expmap(powderlist)] {
992	if {[string range $expmap(htype_$h) 2 2] == "T"} {
993	set det [format %8.2f [histinfo $h tofangle]]
994	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
995	set det [format %8.5f [histinfo $h lam1]]
996	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
997	set det [format %8.2f [histinfo $h lam1]]
998	} else {
999	set det {}
1000	}
1001	lappend histlist "$h $det"
1002	}
1003	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1004	}
1005
1006	# title field needs to match longest title
1007	foreach lbox $expgui(HistSelectList) {
1008	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1009	"h#" \
1010	type \
1011	bank \
1012	"ang/wave" \
1013	" title" \
1014	]
1015	}
1016	foreach tuple $expmap(histlistboxcontents) {
1017	set h [lindex $tuple 0]
1018
1019	if {$expgui(globalmode) == 1} {
1020	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1021	} elseif {$expgui(globalmode) == 2} {
1022	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1023	} elseif {$expgui(globalmode) == 3} {
1024	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1025	[histinfo $h lam2] == 0.0} continue
1026	} elseif {$expgui(globalmode) == 4} {
1027	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1028	[histinfo $h lam2] != 0.0} continue
1029	} elseif {$expgui(globalmode) == 5} {
1030	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1031	}
1032
1033	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1034	set det [format %8.2f [histinfo $h tofangle]]
1035	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1036	set det [format %8.5f [histinfo $h lam1]]
1037	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1038	set det [format %8.2f [histinfo $h lam1]]
1039	} else {
1040	set det {}
1041	}
1042	foreach lbox $expgui(HistSelectList) {
1043	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1044	$h \
1045	[string range $expmap(htype_$h) 1 2] \
1046	[histinfo $h bank] \
1047	$det \
1048	[string range [histinfo $h title] 0 66] \
1049	]
1050	}
1051	}
1052	foreach set $expgui(frameactionlist) {
1053	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1054	}
1055	}
1056
1057	#-----------------------------------------------------------------------
1058	# ----------- draw Histogram page
1059	#-----------------------------------------------------------------------
1060	proc DisplayHistogram {} {
1061	global expgui entrycmd entryvar expmap
1062
1063	# display the selected histograms
1064	$expgui(histFrame).hs.lbox selection clear 0 end
1065	foreach h $expgui(curhist) {
1066	$expgui(histFrame).hs.lbox selection set $h
1067	}
1068
1069	# disable traces on entryvar for right now
1070	set entrycmd(trace) 0
1071
1072	# get histogram list
1073	set histlist {}
1074	foreach item $expgui(curhist) {
1075	lappend histlist [lindex $expmap(powderlist) $item]
1076	}
1077	# must have at least one histogram selected here
1078	if {[llength $histlist] == 0} {
1079	set expgui(backtermlbl) ""
1080	set expgui(backtypelbl) ""
1081	foreach var {bref bdamp} {
1082	set entrycmd($var) ""
1083	set entryvar($var) ""
1084	}
1085	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1086	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1087	set expgui(bkglbl) ""
1088	eval destroy [grid slaves $expgui(diffBox)]
1089	set entrycmd(trace) 1
1090	return
1091	}
1092
1093	if {$expgui(globalmode) != 0} {
1094	set expgui(backtermlbl) ""
1095	set expgui(backtypelbl) ""
1096	foreach var {bref bdamp} {
1097	set entrycmd($var) "histinfo [list $histlist] $var"
1098	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1099	}
1100	} else {
1101	set hist $histlist
1102	set terms [histinfo $hist backterms]
1103	set expgui(backtermlbl) "($terms terms)"
1104	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1105	foreach var {bref bdamp} {
1106	set entrycmd($var) "histinfo $hist $var"
1107	set entryvar($var) [eval $entrycmd($var)]
1108	}
1109	}
1110	# Top box
1111	if {$expgui(globalmode) != 0} {
1112	$expgui(histFrame).top.txt config \
1113	-text "Selected Histograms: [CompressList $histlist]"
1114	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1115	set expgui(bkglbl) "Globally Edit Background"
1116	} else {
1117	grid forget $expgui(histFrame).top
1118	set expgui(bkglbl) "Edit Background"
1119	}
1120
1121	# diffractometer constants
1122	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1123	wref pref dcref daref ratref ttref zref } {
1124	set entrycmd($var) "histinfo [list $histlist] $var"
1125	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1126	}
1127
1128	eval destroy [grid slaves $expgui(diffBox)]
1129	if {$expgui(globalmode) == 0} {
1130	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1131	#------
1132	# TOF \|
1133	#------
1134	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1135	-column 1 -row 1
1136	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1137	-column 2 -row 1
1138	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1139	-column 3 -row 1 -sticky w
1140	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1141	-width 15 ] -column 4 -row 1
1142	#
1143	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1144	-column 1 -row 2
1145	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1146	-column 2 -row 2
1147	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1148	-column 3 -row 2
1149	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1150	-width 15 ] -column 4 -row 2
1151	#
1152	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1153	-column 3 -row 3
1154	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1155	-width 15 ] -column 4 -row 3
1156	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1157	-column 1 -row 3 -sticky w
1158	grid [ checkbutton $expgui(diffBox).rfDCzref \
1159	-variable entryvar(zref) ] -column 2 -row 3
1160	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1161	#---------------
1162	# CW - neutron \|
1163	#---------------
1164	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1165	-column 1 -row 1
1166	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1167	-column 2 -row 1
1168	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1169	-column 3 -row 1 -sticky w
1170	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1171	-width 15 ] -column 4 -row 1
1172	#
1173	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1174	-column 1 -row 3 -sticky w
1175	grid [ checkbutton $expgui(diffBox).rfDCzref \
1176	-variable entryvar(zref) ] -column 2 -row 3
1177	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1178	-column 3 -row 3
1179	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1180	-width 15 ] -column 4 -row 3
1181	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1182	[histinfo $hist lam2] == 0.0} {
1183	#--------------------------
1184	# CW - x-ray 1 wavelength \|
1185	#--------------------------
1186	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1187	-column 1 -row 1
1188	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1189	-column 2 -row 1
1190	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1191	-column 3 -row 1 -sticky w
1192	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1193	-width 15 ] -column 4 -row 1
1194	#
1195	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1196	-column 1 -row 3 -sticky w
1197	grid [ checkbutton $expgui(diffBox).rfDCzref \
1198	-variable entryvar(zref) ] -column 2 -row 3
1199	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1200	-column 3 -row 3
1201	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1202	-width 15 ] -column 4 -row 3
1203	#
1204	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1205	-column 1 -row 4 -sticky w
1206	grid [ checkbutton $expgui(diffBox).rfDCpref \
1207	-variable entryvar(pref) ] -column 2 -row 4
1208	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1209	-column 3 -row 4
1210	grid [ entry $expgui(diffBox).eDCpola \
1211	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1212	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1213	-column 5 -row 4
1214	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1215	-textvariable entryvar(ipola)] -column 6 -row 4
1216	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1217	#---------------------------
1218	# CW - x-ray 2 wavelengths \|
1219	#---------------------------
1220	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1221	-column 3 -row 1 -sticky w
1222	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1223	-width 15 ] -column 4 -row 1
1224	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1225	-width 15 ] -column 5 -row 1
1226	#
1227	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1228	-column 1 -row 2 -sticky w
1229	grid [ checkbutton $expgui(diffBox).rfDCrref \
1230	-variable entryvar(ratref) ] -column 2 -row 2
1231	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1232	-column 3 -row 2
1233	grid [ entry $expgui(diffBox).eDCkratio \
1234	-textvariable entryvar(kratio) \
1235	-width 15 ] -column 4 -row 2
1236	#
1237	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1238	-column 3 -row 3
1239	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1240	-width 15 ] -column 4 -row 3
1241	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1242	-column 1 -row 3 -sticky w
1243	grid [ checkbutton $expgui(diffBox).rfDCzref \
1244	-variable entryvar(zref) ] -column 2 -row 3
1245	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1246	-column 1 -row 4 -sticky w
1247	grid [ checkbutton $expgui(diffBox).rfDCpref \
1248	-variable entryvar(pref) ] -column 2 -row 4
1249	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1250	-column 3 -row 4
1251	grid [ entry $expgui(diffBox).eDCpola \
1252	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1253	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1254	-column 5 -row 4
1255	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1256	-textvariable entryvar(ipola)] -column 6 -row 4
1257	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1258	#-------------
1259	# ED - x-ray \|
1260	#-------------
1261	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1262	-column 1 -row 1
1263	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1264	-column 2 -row 1
1265	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1266	-column 3 -row 1 -sticky w
1267	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1268	-width 15 ] -column 4 -row 1
1269	#
1270	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1271	-column 1 -row 4 -sticky w
1272	grid [ checkbutton $expgui(diffBox).rfDCpref \
1273	-variable entryvar(pref) ] -column 2 -row 4
1274	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1275	-column 3 -row 4
1276	grid [ entry $expgui(diffBox).eDCpola \
1277	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1278	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1279	-column 5 -row 4
1280	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1281	-textvariable entryvar(ipola)] -column 6 -row 4
1282	}
1283	} elseif {$expgui(globalmode) == 1} {
1284	#-------------
1285	# Global TOF \|
1286	#-------------
1287	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1288	-column 1 -row 1
1289	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1290	-column 2 -row 1
1291	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1292	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1293	#
1294	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1295	-column 1 -row 2
1296	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1297	-column 2 -row 2
1298	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1299	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1300	#
1301	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1302	-column 1 -row 3 -sticky w
1303	grid [ checkbutton $expgui(diffBox).rfDCzref \
1304	-variable entryvar(zref) ] -column 2 -row 3
1305	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1306	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1307	} elseif {$expgui(globalmode) == 2} {
1308	#--------------------
1309	# Global CW neutron \|
1310	#--------------------
1311	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1312	-column 1 -row 1
1313	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1314	-column 2 -row 1
1315	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1316	-command "editglobalparm histinfo lam1 Wavelength"] \
1317	-column 3 -row 1
1318	#
1319	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1320	-column 1 -row 3 -sticky w
1321	grid [ checkbutton $expgui(diffBox).rfDCzref \
1322	-variable entryvar(zref) ] -column 2 -row 3
1323	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1324	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1325	} elseif {$expgui(globalmode) == 4} {
1326	#----------------------
1327	# Global CW mono xray \|
1328	#----------------------
1329	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1330	-column 1 -row 1
1331	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1332	-column 2 -row 1
1333	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1334	-command "editglobalparm histinfo lam1 Wavelength"] \
1335	-column 3 -row 1
1336	#
1337	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1338	-column 1 -row 3 -sticky w
1339	grid [ checkbutton $expgui(diffBox).rfDCzref \
1340	-variable entryvar(zref) ] -column 2 -row 3
1341	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1342	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1343	#
1344	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1345	-column 1 -row 4 -sticky w
1346	grid [ checkbutton $expgui(diffBox).rfDCpref \
1347	-variable entryvar(pref) ] -column 2 -row 4
1348	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1349	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1350	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1351	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1352	} elseif {$expgui(globalmode) == 3} {
1353	#------------------------
1354	# Global alpha 1,2 xray \|
1355	#------------------------
1356	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1357	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1358	-column 3 -row 1
1359	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1360	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1361	-column 4 -row 1
1362	#
1363	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1364	-column 1 -row 3 -sticky w
1365	grid [ checkbutton $expgui(diffBox).rfDCratref \
1366	-variable entryvar(ratref) ] -column 2 -row 3
1367	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1368	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1369	-column 3 -row 3
1370	#
1371	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1372	-column 1 -row 3 -sticky w
1373	grid [ checkbutton $expgui(diffBox).rfDCzref \
1374	-variable entryvar(zref) ] -column 2 -row 3
1375	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1376	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1377	#
1378	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1379	-column 1 -row 4 -sticky w
1380	grid [ checkbutton $expgui(diffBox).rfDCpref \
1381	-variable entryvar(pref) ] -column 2 -row 4
1382	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1383	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1384	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1385	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1386	} elseif {$expgui(globalmode) == 5} {
1387	#-----------------
1388	# Global ED xray \|
1389	#-----------------
1390	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1391	-column 1 -row 1
1392	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1393	-column 2 -row 1
1394	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1395	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1396	-column 3 -row 1
1397	#
1398	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1399	-column 1 -row 4 -sticky w
1400	grid [ checkbutton $expgui(diffBox).rfDCpref \
1401	-variable entryvar(pref) ] -column 2 -row 4
1402	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1403	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1404	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1405	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1406	}
1407	if {$expgui(globalmode) == 0} {
1408	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1409	-columnspan 2 -sticky e
1410	} else {
1411	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1412	-columnspan 2 -sticky e
1413	}
1414	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1415	-column 1 -row 1
1416	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1417	grid $expgui(diffBox).d.om -column 2 -row 1
1418	grid columnconfigure $expgui(diffBox) 9 -weight 1
1419	grid columnconfigure $expgui(diffBox) 0 -weight 1
1420	update idletasks
1421	# enable traces on entryvar now
1422	set entrycmd(trace) 1
1423	}
1424
1425	#-----------------------------------------------------------------------
1426	# populate the Scaling page
1427	#-----------------------------------------------------------------------
1428	proc DisplayFrac {} {
1429	global expgui entrycmd entryvar expmap
1430
1431	# display the selected histograms
1432	$expgui(fracFrame).hs.lbox selection clear 0 end
1433	foreach h $expgui(curhist) {
1434	$expgui(fracFrame).hs.lbox selection set $h
1435	}
1436
1437	# disable traces on entryvar
1438	set entrycmd(trace) 0
1439
1440	# get histogram list
1441	set histlist {}
1442	foreach item $expgui(curhist) {
1443	lappend histlist [lindex $expmap(powderlist) $item]
1444	}
1445
1446	# must have at least one histogram selected here
1447	if {[llength $histlist] == 0} {
1448	foreach var {scale sref sdamp} {
1449	set entrycmd($var) ""
1450	set entryvar($var) ""
1451	}
1452	set parm [grid info $expgui(scaleBox).but1]
1453	if {$parm != ""} {
1454	grid forget $expgui(scaleBox).but1
1455	eval grid $expgui(scaleBox).ent1 $parm
1456	}
1457	# destroy the contents of the frame
1458	set phaseFractf1 $expgui(FracBox).f
1459	eval destroy [grid slaves $phaseFractf1]
1460	# reenable traces on entryvar
1461	set entrycmd(trace) 1
1462	return
1463	}
1464
1465	#--------------
1466	# Scale factor
1467	#--------------
1468	if {$expgui(globalmode) != 0} {
1469	foreach var {scale sref sdamp} {
1470	set entrycmd($var) "histinfo [list $histlist] $var"
1471	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1472	}
1473	set parm [grid info $expgui(scaleBox).ent1]
1474	if {$parm != ""} {
1475	grid forget $expgui(scaleBox).ent1
1476	eval grid $expgui(scaleBox).but1 $parm
1477	}
1478	} else {
1479	set hist $histlist
1480	foreach var {scale sref sdamp} {
1481	set entrycmd($var) "histinfo $hist $var"
1482	set entryvar($var) [eval $entrycmd($var)]
1483	}
1484	set parm [grid info $expgui(scaleBox).but1]
1485	if {$parm != ""} {
1486	grid forget $expgui(scaleBox).but1
1487	eval grid $expgui(scaleBox).ent1 $parm
1488	}
1489	}
1490
1491	#----------------
1492	# Phase Fractions
1493	#----------------
1494	set phaseFractf1 $expgui(FracBox).f
1495	# destroy the contents of the frame
1496	eval destroy [grid slaves $phaseFractf1]
1497	if {$expgui(globalmode) != 0} {
1498	grid [label $phaseFractf1.txt -anchor center \
1499	-text "Phase Fractions for Histograms: [CompressList $histlist]"] \
1500	-column 0 -row 0 -sticky news
1501	} else {
1502	grid [label $phaseFractf1.txt -anchor center \
1503	-text "Phase Fractions"] -column 0 -row 0 -sticky news
1504	}
1505	# Create the frame inside the canvas, One frame for each Phase.
1506	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1507	foreach hist $histlist {
1508	foreach i $expmap(phaselist_$hist) {
1509	lappend phasehistlist($i) $hist
1510	}
1511	}
1512	foreach i {1 2 3 4 5 6 7 8 9} {
1513	if {[llength $phasehistlist($i)] == 0} continue
1514	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1515	grid $framePF -column 0 -row $i -sticky ew
1516	# Label Heading for each phase.
1517	if {$expgui(globalmode) != 0} {
1518	grid [label $framePF.l1 \
1519	-text "Phase $i Hist: [CompressList $phasehistlist($i)] Fraction"] \
1520	-column 0 -row 0 -sticky nws
1521	grid [button $framePF.but1 -text "Set Globally" \
1522	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1523	[list $phasehistlist($i)] $i" \
1524	] -column 1 -row 0
1525	} else {
1526	grid [label $framePF.l1 -text "Phase $i fraction"] \
1527	-column 0 -row 0 -sticky nws
1528	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1529	-column 1 -row 0
1530	}
1531	set entrycmd(frac$i) "hapinfo $hist $i frac"
1532	set entryvar(frac$i) [hapinfo $hist $i frac]
1533	grid [label $framePF.l2 -text " Refine"] \
1534	-column 2 -row 0 -sticky nws
1535	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1536	-column 3 -row 0 -sticky nws
1537	set entrycmd(frref$i) "hapinfo $hist $i frref"
1538	set entryvar(frref$i) [hapinfo $hist $i frref]
1539	grid [label $framePF.l3 -text " Damping"] \
1540	-column 4 -row 0 -sticky nws
1541	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1542	0 1 2 3 4 5 6 7 8 9
1543	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1544	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1545	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1546	}
1547	# resize the scroll window to match the actual
1548	update idletasks
1549	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1550	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1551	update idletasks
1552	# enable traces on entryvar now
1553	set entrycmd(trace) 1
1554	}
1555
1556	#-----------------------------------------------------------------------
1557	# display the profile page
1558	#-----------------------------------------------------------------------
1559	proc DisplayProfile {} {
1560	global expgui entrycmd entryvar expmap
1561	$expgui(profFrame).hs.lbox selection clear 0 end
1562	foreach h $expgui(curhist) {
1563	$expgui(profFrame).hs.lbox selection set $h
1564	}
1565
1566	# destroy the contents of the frame
1567	eval destroy [grid slaves $expgui(ProfileBox).f]
1568
1569	if {$expgui(globalmode) == 0} {
1570	# must have at least one histogram selected here
1571	if {[llength $expgui(curhist)] == 0} return
1572	# disable traces on entryvar for right now
1573	set entrycmd(trace) 0
1574	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1575	# Create one frame for each Phase.
1576	set ind -1
1577	set htype [string range $expmap(htype_$hist) 2 2]
1578	foreach i $expmap(phaselist_$hist) {
1579	incr ind
1580	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1581	-column 0 -row $ind -sticky ew
1582	grid [frame $expgui(ProfileBox).f.$i.1] \
1583	-column 0 -row 0 -columnspan 10 -sticky ew
1584	# Label Heading for each phase.
1585	set ptype [string trim [hapinfo $hist $i proftype]]
1586	pack [label $expgui(ProfileBox).f.$i.1.l \
1587	-text "Phase $i -- type $ptype Damping"]\
1588	-side left
1589	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp entryvar(pdamp_$i) \
1590	0 1 2 3 4 5 6 7 8 9
1591	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1592	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1593	pack $expgui(ProfileBox).f.$i.1.tkOptDamp -side left
1594	pack [label $expgui(ProfileBox).f.$i.1.l1 \
1595	-text " Peak cutoff"]\
1596	-side left
1597	pack [entry $expgui(ProfileBox).f.$i.1.e1 \
1598	-width 10 -textvariable entryvar(pcut_$i)]\
1599	-side left
1600	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1601	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1602
1603	set col -1
1604	set row 1
1605	set nterms [hapinfo $hist $i profterms]
1606	set lbls {}
1607	catch {set lbls $expgui(prof-$htype-$ptype)}
1608	# for type 4, add extra terms depending on the cell type
1609	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1610	for { set num 1 } { $num <= $nterms } { incr num } {
1611	set term {}
1612	catch {set term [lindex $lbls $num]}
1613	if {$term == ""} {set term $num}
1614	incr col
1615	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1616	-row $row -column $col
1617	incr col
1618	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1619	-variable entryvar(pref${num}_$i)] -row $row -column $col
1620	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1621	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1622	incr col
1623	grid [entry $expgui(ProfileBox).f.$i.ent${num}_${i} \
1624	-textvariable entryvar(pterm${num}_$i)\
1625	-width 12] -row $row -column $col
1626	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1627	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1628	if {$col > 6} {set col -1; incr row}
1629	}
1630	}
1631	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1632	} else {
1633	# get histogram list
1634	set histlist {}
1635	foreach item $expgui(curhist) {
1636	lappend histlist [lindex $expmap(powderlist) $item]
1637	}
1638	# must have at least one histogram selected here
1639	if {[llength $histlist] == 0} return
1640	# disable traces on entryvar for right now
1641	set entrycmd(trace) 0
1642	# loop through histograms & phases, set up an array by type
1643	catch {unset ptypearray histarray phasearray}
1644	foreach hist $histlist {
1645	foreach i $expmap(phaselist_$hist) {
1646	set ptype [string trim [hapinfo $hist $i proftype]]
1647	lappend ptypearray(${ptype}_$i) $hist
1648	lappend histarray($ptype) $hist
1649	lappend phasearray($ptype) $i
1650	}
1651	}
1652
1653	set ptype ""
1654	set title ""
1655	set ind -1
1656	foreach key "[lsort [array names ptypearray]] 0_0" {
1657	# split key
1658	scan $key %d_%d type p
1659	# 1st time through
1660	if {$ptype == ""} {set ptype $type}
1661	if {$ptype == $type} {
1662	# we've seen this one before
1663	if {$title != ""} {append title "\n"}
1664	append title "Phase $p, hist [CompressList $ptypearray($key)]"
1665	} else {
1666	set hist [lindex $histarray($ptype) 0]
1667	set phase [lindex $phasearray($ptype) 0]
1668	set nterms [hapinfo $hist $phase profterms]
1669	set htype [string range $expmap(htype_$hist) 2 2]
1670	set lbls $expgui(prof-$htype-$ptype)
1671	set i $ptype
1672	# Create one frame for this type
1673	incr ind
1674	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1675	-column 0 -row $ind -sticky ew
1676	grid [frame $expgui(ProfileBox).f.$i.0] \
1677	-column 0 -row 0 -columnspan 20 -sticky ew
1678	grid [label $expgui(ProfileBox).f.$i.0.0 \
1679	-text "Profile Type $ptype "] -row 0 -column 0
1680	grid [label $expgui(ProfileBox).f.$i.0.1 \
1681	-text $title -anchor w] -row 0 -column 1
1682	grid [frame $expgui(ProfileBox).f.$i.1] \
1683	-column 0 -row 1 -columnspan 20 -sticky ew
1684	grid [label $expgui(ProfileBox).f.$i.1.2 \
1685	-text "Damping"] -row 0 -column 2
1686	tk_optionMenu $expgui(ProfileBox).f.$i.1.tkOptDamp \
1687	entryvar(pdamp_$ptype) 0 1 2 3 4 5 6 7 8 9
1688	set entrycmd(pdamp_$ptype) "hapinfo \
1689	[list $histarray($ptype)] \
1690	[list $phasearray($ptype)] pdamp"
1691	set entryvar(pdamp_$ptype) [hapinfo $hist $phase pdamp]
1692	grid $expgui(ProfileBox).f.$i.1.tkOptDamp -row 0 -column 3
1693	grid [button $expgui(ProfileBox).f.$i.1.edit \
1694	-text "Global Edit" \
1695	-command "EditProfile [list $title] \
1696	[list $histarray($ptype)] [list $phasearray($ptype)] " \
1697	] -row 0 -column 4 -sticky w
1698	# for type 4, add extra terms depending on the cell type
1699	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase]}
1700	set col -1
1701	set row 2
1702	for { set num 1 } { $num <= $nterms } { incr num } {
1703	set term {}
1704	catch {set term [lindex $lbls $num]}
1705	if {$term == ""} {set term $num}
1706	incr col
1707	grid [label $expgui(ProfileBox).f.$i.l${num}_${i} -text "$term"] \
1708	-row $row -column $col
1709	incr col
1710	grid [checkbutton $expgui(ProfileBox).f.$i.ref${num}_${i} \
1711	-variable entryvar(pref${num}_$i)] \
1712	-row $row -column $col
1713	set entrycmd(pref${num}_$i) "hapinfo \
1714	[list $histarray($ptype)] \
1715	[list $phasearray($ptype)] pref$num"
1716	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1717	if {$col > 10} {set col -1; incr row}
1718	}
1719	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1720	set ptype ""
1721	}
1722	}
1723	}
1724
1725	# resize the scroll window to match the actual
1726	update idletasks
1727	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1728	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1729	update idletasks
1730	# enable traces on entryvar now
1731	set entrycmd(trace) 1
1732	}
1733
1734	# profile labels for type 4 profile
1735	proc type4lbls {lbls nterms phase} {
1736	if {$nterms == 14} {
1737	# cubic
1738	lappend lbls S400 S220
1739	} elseif {$nterms == 15} {
1740	# hexagonal
1741	lappend lbls S400 S004 S202
1742	} elseif {$nterms == 16} {
1743	# tetragonal or rhombohedral
1744	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1745	# rhombohedral
1746	lappend lbls S400 S220 S310 S211
1747	} else {
1748	lappend lbls S400 S004 S220 S202
1749	}
1750	} elseif {$nterms == 18} {
1751	# orthorhombic
1752	lappend lbls S400 S040 S004 S220 S202 S022
1753	} elseif {$nterms == 21} {
1754	# monoclinic
1755	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1756	} elseif {$nterms == 25} {
1757	# triclinic
1758	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1759	S130 S301 S013 S211 S121 S112
1760	}
1761	return $lbls
1762	}
1763
1764	# process the bit settings in the print options
1765	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1766	proc printsetting {bitnum "action get" "value {}"} {
1767	global entryvar expgui
1768	if {$action == "get"} {
1769	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1770	} elseif $value {
1771	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1772	} else {
1773	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1774	}
1775	expinfo print set $newval
1776	set expgui(printopt) "Print Options ([expinfo print])"
1777	}
1778
1779	# need to respond to mouse presses -- control variable associated with extract Fobs
1780	# and set the LeBail extraction flags
1781	proc SetupExtractHist {} {
1782	global expgui entrycmd entryvar expmap
1783
1784	# display the selected histograms
1785	$expgui(lsFrame).hs.lbox selection clear 0 end
1786	foreach h $expgui(curhist) {
1787	$expgui(lsFrame).hs.lbox selection set $h
1788	}
1789
1790	# get histogram list
1791	set histlist {}
1792	foreach item $expgui(curhist) {
1793	set hist [lindex $expmap(powderlist) $item]
1794	if {$hist != ""} {lappend histlist $hist}
1795	}
1796	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1797	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1798	foreach phase {1 2 3 4 5 6 7 8 9} {
1799	$expgui(lsFrame).f1.a.l$phase config -fg grey
1800	set expgui(Fextract$phase) {}
1801	foreach item $expgui(ExtractSettingsRadiobuttons) {
1802	${item}$phase config -state disabled -bd 1
1803	}
1804	}
1805	} elseif {[llength $histlist] == 1} {
1806	# disable traces on entryvar
1807	set entrycmd(trace) 0
1808	set entryvar(fobsextract) [histinfo $histlist foextract]
1809	foreach phase {1 2 3 4 5 6 7 8 9} {
1810	# is the phase present?
1811	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1812	$expgui(lsFrame).f1.a.l$phase config -fg grey
1813	set expgui(Fextract$phase) {}
1814	foreach item $expgui(ExtractSettingsRadiobuttons) {
1815	${item}$phase config -state disabled -bd 1
1816	}
1817	} else {
1818	$expgui(lsFrame).f1.a.l$phase config -fg black
1819	foreach item $expgui(ExtractSettingsRadiobuttons) {
1820	${item}$phase config -state normal -bd 2
1821	}
1822	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
1823	}
1824	}
1825	} elseif {[llength $histlist] > 1} {
1826	# disable traces on entryvar
1827	set entrycmd(trace) 0
1828	# multiple histograms need phases in any histogram
1829	foreach phase {1 2 3 4 5 6 7 8 9} {
1830	set gotphase($phase) 0
1831	}
1832	foreach hist $histlist {
1833	foreach phase $expmap(phaselist_$hist) {
1834	set gotphase($phase) 1
1835	}
1836	}
1837	foreach phase {1 2 3 4 5 6 7 8 9} {
1838	set expgui(Fextract$phase) {}
1839	if $gotphase($phase) {
1840	$expgui(lsFrame).f1.a.l$phase config -fg black
1841	foreach item $expgui(ExtractSettingsRadiobuttons) {
1842	${item}$phase config -state normal -bd 2
1843	}
1844	} else {
1845	$expgui(lsFrame).f1.a.l$phase config -fg grey
1846	foreach item $expgui(ExtractSettingsRadiobuttons) {
1847	${item}$phase config -state disabled -bd 1
1848	}
1849	}
1850	}
1851	}
1852	# reenable traces
1853	set entrycmd(trace) 1
1854	}
1855	# respond to a change in the fobs extraction method for a phase
1856	# force the main extraction flag on, if fobs extraction is selected for any phase
1857	proc HistExtractSet {phase} {
1858	global expgui entryvar expmap
1859	foreach item $expgui(curhist) {
1860	lappend histlist [lindex $expmap(powderlist) $item]
1861	}
1862	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
1863	incr expgui(changed)
1864	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
1865	}
1866	#---------------------------- Global Edit Functions ------------------------
1867	proc editbackground {} {
1868	global expgui expmap entrycmd
1869	set histlist {}
1870	foreach n $expgui(curhist) {
1871	lappend histlist [lindex $expmap(powderlist) $n]
1872	}
1873	if {[llength $histlist] == 0} return
1874
1875	set w .back
1876	catch {destroy $w}
1877	toplevel $w -bg beige
1878	if {$expgui(globalmode) != 0} {
1879	wm title $w "Edit Background"
1880	} else {
1881	wm title $w "Global Edit Background"
1882	}
1883
1884	pack [frame $w.0 -bd 6 -relief groove -bg beige \
1885	] -side top -expand yes -fill both
1886	if {[llength $histlist] > 1} {
1887	grid [label $w.0.a \
1888	-text "Setting background terms for histograms [CompressList $histlist]" \
1889	-bg beige] -row 0 -column 0 -columnspan 10
1890	} else {
1891	grid [label $w.0.a \
1892	-text "Setting background terms for histogram $histlist" \
1893	-bg beige] -row 0 -column 0 -columnspan 10
1894	}
1895	set hist [lindex $histlist 0]
1896	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
1897
1898	# disable traces on expgui(backtype) & expgui(backterms) now
1899	set entrycmd(trace) 0
1900
1901	# number of terms
1902	set expgui(backtype) [histinfo $hist backtype]
1903	set expgui(orig_backtype) $expgui(backtype)
1904	set expgui(prev_backtype) $expgui(backtype)
1905	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
1906	grid $w.0.type -row 1 -column 1
1907	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
1908
1909	# function type
1910	set expgui(backterms) [histinfo $hist backterms]
1911	set expgui(orig_backterms) $expgui(backterms)
1912	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
1913	eval tk_optionMenu $w.0.terms expgui(backterms) $list
1914	grid $w.0.terms -row 1 -column 3
1915	# enable traces on expgui(backtype) & expgui(backterms) now
1916	set entrycmd(trace) 1
1917
1918	#set background terms
1919	for {set num 1 } { $num <= 36 } { incr num } {
1920	set var "bterm$num"
1921	set expgui($var) {}
1922	set expgui(orig_$var) {}
1923	}
1924	if {[llength $histlist] == 1} {
1925	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1926	set var "bterm$num"
1927	set expgui($var) [histinfo $histlist $var]
1928	set expgui(orig_$var) $expgui($var)
1929	}
1930	}
1931
1932	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
1933	-expand yes -fill both
1934	ShowBackTerms $w.1
1935
1936	set expgui(temp) {}
1937	pack [frame $w.b] -side top
1938	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
1939	pack [button $w.b.3 -text Quit \
1940	-command "QuitEditBackground $w"] -side left
1941	# force the window to stay on top
1942	wm transient $w [winfo toplevel [winfo parent $w]]
1943
1944	bind $w <Return> "destroy $w"
1945	wm withdraw $w
1946	update idletasks
1947	# center the new window in the middle of the parent
1948	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
1949	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
1950	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
1951	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
1952	wm geom $w +$x+$y
1953	wm deiconify $w
1954
1955	set oldFocus [focus]
1956	set oldGrab [grab current $w]
1957	if {$oldGrab != ""} {
1958	set grabStatus [grab status $oldGrab]
1959	}
1960	grab $w
1961	focus $w.b.2
1962	tkwait window $w
1963
1964	catch {focus $oldFocus}
1965	if {$oldGrab != ""} {
1966	if {$grabStatus == "global"} {
1967	grab -global $oldGrab
1968	} else {
1969	grab $oldGrab
1970	}
1971	}
1972	if {$expgui(temp) != ""} return
1973
1974	if {$expgui(orig_backtype) != $expgui(backtype)} {
1975	histinfo $histlist backtype set $expgui(backtype)
1976	incr expgui(changed)
1977	}
1978	if {$expgui(orig_backterms) != $expgui(backterms)} {
1979	histinfo $histlist backterms set $expgui(backterms)
1980	incr expgui(changed)
1981	}
1982	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
1983	set var "bterm$num"
1984	if {$expgui(orig_$var) != $expgui($var)} {
1985	histinfo $histlist $var set $expgui($var)
1986	incr expgui(changed)
1987	}
1988	}
1989
1990	if {$expgui(globalmode) == 0} {
1991	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1992	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
1993	}
1994	}
1995
1996	trace variable expgui(backterms) w ChangeBackTerms
1997	proc ChangeBackTerms {a b c} {
1998	global entrycmd expgui
1999	if !$entrycmd(trace) return
2000	ShowBackTerms .back.1
2001	}
2002
2003	trace variable expgui(backtype) w ChangeBackType
2004	# reset the terms to 1, 0, 0... when the number of terms increase
2005	proc ChangeBackType {a b c} {
2006	global entrycmd expgui
2007	if !$entrycmd(trace) return
2008	if {$expgui(prev_backtype) == $expgui(backtype)} return
2009	set expgui(prev_backtype) $expgui(backtype)
2010	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2011	set var "bterm$num"
2012	if {$num == 1} {
2013	set expgui($var) 1.0
2014	} else {
2015	set expgui($var) 0.0
2016	}
2017	}
2018	}
2019
2020	proc ShowBackTerms {w } {
2021	global expgui expmap
2022	# destroy the contents of the frame
2023	eval destroy [grid slaves $w]
2024	set histlist {}
2025	foreach n $expgui(curhist) {
2026	lappend histlist [lindex $expmap(powderlist) $n]
2027	}
2028	set widgetsPerRow 4
2029	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2030	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2031	set var "bterm$num"
2032	grid [label $w.l$num -text $num -bg beige] \
2033	-row $rows -column $cols -sticky nes
2034	incr cols
2035	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2036	] -row $rows -column $cols -sticky news
2037	incr cols
2038	}
2039	}
2040	}
2041
2042	proc QuitEditBackground {w} {
2043	global expgui
2044	# lets find out if anything changed
2045	set changed 0
2046	if {$expgui(orig_backtype) != $expgui(backtype)} {
2047	set changed 1
2048	}
2049	if {$expgui(orig_backterms) != $expgui(backterms)} {
2050	set changed 1
2051	}
2052	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2053	set var "bterm$num"
2054	if {$expgui(orig_$var) != $expgui($var)} {
2055	set changed 1
2056	break
2057	}
2058	}
2059	if $changed {
2060	set decision [tk_dialog .changes "Abandon Changes" \
2061	"You have made changes to the background. Ok to abandon changes?" \
2062	warning 0 Abandon Keep]
2063	if !$decision {
2064	set expgui(temp) "Quit"
2065	destroy $w
2066	}
2067	} else {
2068	set expgui(temp) "Quit"
2069	destroy $w
2070	}
2071	}
2072
2073	# this probably needs work
2074	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2075	global expgui expmap
2076	set w .global
2077	catch {destroy $w}
2078	toplevel $w -bg beige
2079	wm title $w "Edit Global Parameter"
2080	set expgui(temp) {}
2081	if {[llength $histlist] == 0} {
2082	set hist {}
2083	foreach n $expgui(curhist) {
2084	lappend hist [lindex $expmap(powderlist) $n]
2085	}
2086	} else {
2087	set hist $histlist
2088	}
2089	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2090	-side top -expand yes -fill both
2091	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2092	-bg beige] \
2093	-row 0 -column 0 -columnspan 10
2094	grid [entry $w.0.b -textvariable expgui(temp)] \
2095	-row 1 -column 0
2096
2097
2098	pack [frame $w.b] -side top
2099	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2100	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2101	# force the window to stay on top
2102	wm transient $w [winfo toplevel [winfo parent $w]]
2103
2104	bind $w <Return> "destroy $w"
2105	wm withdraw $w
2106	update idletasks
2107	# center the new window in the middle of the parent
2108	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2109	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2110	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2111	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2112	wm geom $w +$x+$y
2113	wm deiconify $w
2114
2115	set oldFocus [focus]
2116	set oldGrab [grab current $w]
2117	if {$oldGrab != ""} {
2118	set grabStatus [grab status $oldGrab]
2119	}
2120	grab $w
2121	focus $w.b.2
2122	tkwait window $w
2123	if {$expgui(temp) != ""} {
2124	foreach h $hist {
2125	if {$cmd == "histinfo"} {
2126	histinfo $h $variable set $expgui(temp)
2127	incr expgui(changed)
2128	if $expgui(debug) {
2129	puts "histinfo $h $variable set $expgui(temp)"
2130	}
2131	} elseif {$cmd == "hapinfo"} {
2132	hapinfo $h $phase $variable set $expgui(temp)
2133	incr expgui(changed)
2134	if $expgui(debug) {
2135	puts "hapinfo $phase $h $variable set $expgui(temp)"
2136	}
2137	} else {
2138	error "$cmd unimplemented"
2139	}
2140	}
2141	}
2142	catch {focus $oldFocus}
2143	if {$oldGrab != ""} {
2144	if {$grabStatus == "global"} {
2145	grab -global $oldGrab
2146	} else {
2147	grab $oldGrab
2148	}
2149	}
2150	}
2151
2152	proc EditProfile {title histlist phaselist} {
2153	global expgui expmap entrycmd
2154	set w .back
2155	catch {destroy $w}
2156	toplevel $w -bg beige
2157	wm title $w "Global Edit Profile"
2158	set hist [lindex $histlist 0]
2159	set phase [lindex $phaselist 0]
2160	set ptype [string trim [hapinfo $hist $phase proftype]]
2161	set htype [string range $expmap(htype_$hist) 2 2]
2162	set nterms [hapinfo $hist $phase profterms]
2163
2164	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2165	] -side top -expand yes -fill both
2166	grid [label $w.0.a \
2167	-text "Setting profile terms: $title" \
2168	-bg beige] -row 0 -column 0 -columnspan 10
2169	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2170
2171	# number of terms
2172	# set expgui(backtype) [histinfo $hist backtype]
2173	# set expgui(orig_backtype) $expgui(backtype)
2174	# set expgui(prev_backtype) $expgui(backtype)
2175	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2176	# grid $w.0.type -row 1 -column 1
2177
2178	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2179	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2180	set entrylist {}
2181	lappend entrylist "pcut $w.0.d"
2182
2183	set col -1
2184	set row 1
2185	set lbls $expgui(prof-$htype-$ptype)
2186	# for type 4, add extra terms depending on the cell type
2187	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2188	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2189	] -side top -expand yes -fill both
2190	for { set num 1 } { $num <= $nterms } { incr num } {
2191	set term {}
2192	catch {set term [lindex $lbls $num]}
2193	if {$term == ""} {set term $num}
2194	incr col
2195	grid [label $w.1.l${num} -text "$term" -bg beige] \
2196	-row $row -column $col
2197	incr col
2198	grid [entry $w.1.ent${num} \
2199	-width 14] -row $row -column $col
2200	lappend entrylist "pterm$num $w.1.ent${num}"
2201	if {$col > 6} {set col -1; incr row}
2202	}
2203	pack [frame $w.b] -side top
2204	pack [button $w.b.2 -text Set \
2205	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2206	[list $histlist] $w"] -side left
2207	pack [button $w.b.3 -text Quit \
2208	-command "QuitEditProfile $w [list $entrylist]"] -side left
2209	# force the window to stay on top
2210	wm transient $w [winfo toplevel [winfo parent $w]]
2211
2212	bind $w <Return> "destroy $w"
2213	wm withdraw $w
2214	update idletasks
2215	# center the new window in the middle of the parent
2216	set x [expr [winfo x [winfo parent $w]] + [winfo width .]/2 - \
2217	[winfo reqwidth $w]/2 - [winfo vrootx [winfo parent $w]]]
2218	set y [expr [winfo y [winfo parent $w]] + [winfo height .]/2 - \
2219	[winfo reqheight $w]/2 - [winfo vrooty [winfo parent $w]]]
2220	wm geom $w +$x+$y
2221	wm deiconify $w
2222
2223	set oldFocus [focus]
2224	set oldGrab [grab current $w]
2225	if {$oldGrab != ""} {
2226	set grabStatus [grab status $oldGrab]
2227	}
2228	grab $w
2229	focus $w.b.2
2230	tkwait window $w
2231
2232	catch {focus $oldFocus}
2233	if {$oldGrab != ""} {
2234	if {$grabStatus == "global"} {
2235	grab -global $oldGrab
2236	} else {
2237	grab $oldGrab
2238	}
2239	}
2240	}
2241
2242	proc SetEditProfile {entrylist phaselist histlist w} {
2243	global expgui
2244	foreach item $entrylist {
2245	set value [ [lindex $item 1] get ]
2246	if {$value != ""} {
2247	hapinfo $histlist $phaselist [lindex $item 0] set $value
2248	incr expgui(changed)
2249	if $expgui(debug) {
2250	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2251	}
2252	}
2253	}
2254	destroy $w
2255	}
2256
2257	proc QuitEditProfile {w entrylist} {
2258	global expgui
2259	# lets find out if anything changed
2260	set changed 0
2261	foreach item $entrylist {
2262	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2263	}
2264	if $changed {
2265	set decision [tk_dialog .changes "Abandon Changes" \
2266	"You have made changes to the Profile. Ok to abandon changes?" \
2267	warning 0 Abandon Keep]
2268	if !$decision {destroy $w}
2269	} else {
2270	destroy $w
2271	}
2272	}
2273
2274	##############################################################################
2275	## #############################################
2276	## END OF THE PROCEDURES SECTION #############################################
2277	## #############################################
2278	##############################################################################
2279
2280	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2281	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2282	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2283	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2284	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2285	# A frame for menu items at top of display
2286	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2287	# Pack the menu frame.
2288	pack $expgui(fm) -fill x -side top -anchor n
2289
2290	# create a button bar
2291	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2292
2293	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2294	# & LS controls
2295	if $expgui(havetix) {
2296	pack [tixNoteBook .n] -expand yes -fill both
2297	.n add lsPane -label "LS Controls" -underline 0
2298	.n pageconfigure lsPane -raisecmd \
2299	"set expgui(pagenow) lsFrame; SetupExtractHist"
2300	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2301	.n add phasePane -label "Phase" -underline 0
2302	.n pageconfigure phasePane -raisecmd \
2303	"set expgui(pagenow) phaseFrame; DisplayAllAtoms noreset"
2304	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2305	.n add histPane -label "Histogram" -underline 0
2306	.n pageconfigure histPane -raisecmd \
2307	"set expgui(pagenow) histFrame; DisplayHistogram"
2308	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2309	lappend expgui(GlobalModeAllDisable) "histFrame {.n pageconfigure histPane}"
2310	.n add fracPane -label "Scaling" -underline 6
2311	.n pageconfigure fracPane -raisecmd \
2312	"set expgui(pagenow) fracFrame; DisplayFrac"
2313	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2314	.n add profPane -label Profile -underline 1
2315	.n pageconfigure profPane -raisecmd \
2316	"set expgui(pagenow) profFrame; DisplayProfile"
2317	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2318	lappend expgui(GlobalModeAllDisable) "profFrame {.n pageconfigure profPane}"
2319	# Finding the pathname to the subwidget frames.
2320	set expgui(phaseFrame) [.n subwidget phasePane]
2321	set expgui(histFrame) [.n subwidget histPane]
2322	set expgui(fracFrame) [.n subwidget fracPane]
2323	set expgui(profFrame) [.n subwidget profPane]
2324	set expgui(lsFrame) [.n subwidget lsPane]
2325	} else {
2326	pack [frame .frmbar] -side top -anchor w
2327	pack [frame .n] -anchor w -fill both -expand yes
2328	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2329	page {"LS Controls" Phase Histogram Scaling Profile } {
2330	pack [button .frmbar.$item -text $page -bd 2 \
2331	-command "RaisePage $item"] -side left
2332	set expgui($item) [frame .n.$item -relief flat]
2333	}
2334	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2335	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2336	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2337	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2338	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2339	lappend expgui(GlobalModeAllDisable) "histFrame {.frmbar.histFrame config}"
2340	lappend expgui(GlobalModeAllDisable) "profFrame {.frmbar.profFrame config}"
2341	}
2342
2343	# this is used in the non-tix notebook to bring up the selected frame
2344	proc RaisePage {nextpage} {
2345	global expgui
2346	set expgui(pagenow) $nextpage
2347	foreach item {phaseFrame histFrame fracFrame profFrame lsFrame} {
2348	if {$item == $nextpage} {
2349	.frmbar.$item config -relief flat
2350	} else {
2351	.frmbar.$item config -relief raised
2352	}
2353	}
2354	# forget all other pages
2355	foreach child [pack slaves .n] {
2356	pack forget $child
2357	}
2358	pack .n.$nextpage -anchor w -fill both -expand yes
2359	foreach set $expgui(frameactionlist) {
2360	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2361	}
2362	}
2363	#----------------------------------------------------------------------------
2364	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/ \/ \/
2365	# Setup major frames here
2366	frame $expgui(phaseFrame).top
2367	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2368	# This is a big frame in the Phase notebook pane to hold a list of CRS data.
2369	set fbig [frame $expgui(phaseFrame).fbig -width 180 -relief raised -borderwidth 4 -bg beige]
2370	# This is a frame just below the big frame: fbig to allow edit of CRS data, One record at a time.
2371	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 -relief raised -borderwidth 4 -bg beige]
2372
2373	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2374	grid $frameLatt -sticky news -row 2 -column 0
2375	grid $fbig -sticky news -row 3 -column 0
2376	# give extra space to the atoms box
2377	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2378	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2379	grid $frame3 -sticky news -row 4 -column 0
2380	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2381	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2382	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2383	# this is where the buttons will go
2384	pack [label $expgui(phaseFrame).top.ps.0 -text "Phases: "] -side left
2385
2386	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2387	-fg blue ] -column 1 -row 0 -sticky e
2388	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2389	-fg blue -width 45] -column 2 -row 0 -sticky e
2390	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2391	# ------------- Lattice Parameter Box ------------------
2392	set e1 [entry $frameLatt.e1 -textvariable entryvar(a) -width 10]
2393	set e2 [entry $frameLatt.e2 -textvariable entryvar(b) -width 10]
2394	set e3 [entry $frameLatt.e3 -textvariable entryvar(c) -width 10]
2395	set e4 [entry $frameLatt.e4 -textvariable entryvar(alpha) -width 10]
2396	set e5 [entry $frameLatt.e5 -textvariable entryvar(beta) -width 10]
2397	set e6 [entry $frameLatt.e6 -textvariable entryvar(gamma) -width 10]
2398	set l1 [label $frameLatt.l1 -text "a"]
2399	set l2 [label $frameLatt.l2 -text "b"]
2400	set l3 [label $frameLatt.l3 -text "c"]
2401	set l4 [label $frameLatt.l4 -text "alpha"]
2402	set l5 [label $frameLatt.l5 -text "beta"]
2403	set l6 [label $frameLatt.l6 -text "gamma"]
2404	grid $e1 -column 1 -row 0 -padx 5
2405	grid $e2 -column 3 -row 0 -padx 5
2406	grid $e3 -column 5 -row 0 -padx 5
2407	grid $e4 -column 1 -row 1 -padx 5
2408	grid $e5 -column 3 -row 1 -padx 5
2409	grid $e6 -column 5 -row 1 -padx 5
2410	grid $l1 -column 0 -row 0 -padx 5 -sticky e
2411	grid $l2 -column 2 -row 0 -padx 5 -sticky e
2412	grid $l3 -column 4 -row 0 -padx 5 -sticky e
2413	grid $l4 -column 0 -row 1 -padx 5 -sticky e
2414	grid $l5 -column 2 -row 1 -padx 5 -sticky e
2415	grid $l6 -column 4 -row 1 -padx 5 -sticky e
2416
2417	grid [label $frameLatt.lr -text "Refine Cell"] -column 6 -row 0 -padx 5 -sticky e
2418	grid [label $frameLatt.ld -text "Cell damping"] -column 6 -row 1 -padx 5 -sticky e
2419	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2420	grid $cFlag -column 7 -row 0 -padx 5 -sticky e
2421	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2422	grid $frameLatt.om -column 7 -row 1 -padx 5 -sticky e
2423
2424	#-------------- Begin Atom Coordinates Box ---------------------------------
2425	grid [listbox $fbig.title -height 1 -relief flat] \
2426	-row 0 -column 0 -sticky ew
2427	set expgui(atomtitle) $fbig.title
2428	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2429	grid [listbox $fbig.lbox -height 10 \
2430	-xscrollcommand " $fbig.bscr set"\
2431	-yscrollcommand " $fbig.rscr set"\
2432	] -row 1 -column 0 -sticky news
2433	set expgui(atomlistbox) $fbig.lbox
2434	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2435	grid [scrollbar $fbig.bscr -orient horizontal \
2436	-command "move2boxes \" $fbig.title $fbig.lbox \" "
2437	] -row 2 -column 0 -sticky ew
2438	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2439	] -row 1 -column 1 -sticky ns
2440	# give extra space to the atoms box
2441	grid columnconfigure $fbig 0 -weight 1
2442	grid rowconfigure $fbig 1 -weight 1
2443
2444	proc move2boxes {boxlist args} {
2445	foreach listbox $boxlist {
2446	eval $listbox xview $args
2447	}
2448	}
2449	# BIND mouse in editbox
2450	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2451	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2452
2453	#-------------- End Atoms Section ---------------------------------
2454
2455	# --------------------------- Begin Edit Box -------------------------------
2456	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2457	-column 0 -row 0 -padx 2 -pady 3 -columnspan 12 -sticky w
2458
2459	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2460	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2461
2462	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2463	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2464	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2465	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2466	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2467	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2468
2469	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2470	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2471
2472	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2473	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2474	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2475	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2476	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2477	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2478	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2479	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2480	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2481
2482	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2483	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2484
2485	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2486	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2487
2488	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2489	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2490	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2491	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2492	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2493	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2494	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2495	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2496	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2497	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2498
2499	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2500	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2501	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2502	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2503	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2504	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2505	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2506	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2507
2508
2509	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2510	grid $f3f31 -column 0 -row 7 -columnspan 12
2511	set expgui(anisolabels) {}
2512	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2513	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2514	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2515	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2516	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2517	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2518
2519	set expgui(anisoentry) {}
2520	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2521	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2522	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2523	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2524	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2525	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2526
2527	set col 0
2528	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2529	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2530	incr col
2531	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2532	incr col
2533	}
2534	# --------------------------- End Edit Box --------------------------------
2535
2536	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /\ /\ /\
2537	#-----------------------------------------------------------------------------
2538	#v v v v v v v v v v BEGINNING OF HISTOGRAM PANE CODE v v v v v v v v v v v v
2539	grid [frame $expgui(histFrame).hs] \
2540	-column 0 -row 0 -rowspan 10 -sticky nsew
2541	grid columnconfigure $expgui(histFrame) 0 -weight 1
2542	grid rowconfigure $expgui(histFrame) 1 -weight 1
2543	grid rowconfigure $expgui(histFrame) 2 -weight 1
2544	grid rowconfigure $expgui(histFrame) 3 -weight 1
2545	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2546	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2547	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2548	-font $expgui(histfont) \
2549	-xscrollcommand "$expgui(histFrame).hs.x set" \
2550	-yscrollcommand "$expgui(histFrame).hs.y set" \
2551	] -row 1 -column 0 -sticky news
2552	lappend expgui(HistSelectList) $expgui(histFrame).hs
2553	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2554	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2555	] -row 2 -column 0 -sticky ew
2556	grid [scrollbar $expgui(histFrame).hs.y \
2557	-command "$expgui(histFrame).hs.lbox yview"] \
2558	-row 1 -column 1 -sticky ns
2559	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2560	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2561	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2562	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2563	DisplayHistogram
2564	}
2565	bind $expgui(histFrame).hs.lbox <Button-3> {
2566	if $expgui(globalmode) {
2567	$expgui(histFrame).hs.lbox selection set 0 end
2568	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2569	DisplayHistogram
2570	}
2571	}
2572
2573
2574	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2575	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2576	if $expgui(havetix) {
2577	foreach item {backBox diffBox} num {2 3} \
2578	title {Background "Diffractometer Constants"} {
2579	tixLabelFrame $expgui(histFrame).$item \
2580	-borderwidth 4 -width 600 -height 100 -label $title
2581	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2582	set expgui($item) [$expgui(histFrame).$item subwidget frame]
2583	}
2584	} else {
2585	foreach item {backBox diffBox} num {1 2} \
2586	title {Background "Diffractometer Constants"} {
2587	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2588	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2589	set expgui($item) $expgui(histFrame).$item
2590	grid [label $expgui(histFrame).$item.title -text $title] \
2591	-row 0 -column 0 -columnspan 10 -sticky nw
2592	}
2593	}
2594
2595	# BACKGROUND information.
2596	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2597	grid [ frame $expgui(backBox).f ] -row 0 -column 0 -columnspan 11
2598	grid [ label $expgui(backBox).f.lBGType -textvariable expgui(backtypelbl)] \
2599	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2600	grid [ label $expgui(backBox).f.lBGTerms -textvariable expgui(backtermlbl)] \
2601	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2602	grid [ button $expgui(backBox).f.edit -textvariable expgui(bkglbl) \
2603	-command editbackground] \
2604	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2605	grid [ frame $expgui(backBox).f1 ] -row 1 -column 0 -columnspan 11 -sticky e
2606	grid [ label $expgui(backBox).f1.lfBG -text " Refine background" ] \
2607	-row 2 -column 1 -sticky news -padx 4 -pady 3
2608	grid [ checkbutton $expgui(backBox).f1.rfBG -text "" \
2609	-variable entryvar(bref) ] \
2610	-row 2 -column 2 -sticky news -padx 4 -pady 3
2611	grid [ label $expgui(backBox).f1.lBGDamp -text Damping ] \
2612	-row 2 -column 3 -sticky w -padx 2 -pady 3
2613	tk_optionMenu $expgui(backBox).f1.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2614	grid $expgui(backBox).f1.om \
2615	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2616
2617	# DIFFRACTOMETER CONSTANTS SECTION
2618
2619	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2620	###############################################################################
2621	#v v v v v v v v v v BEGINNING OF SCALING PANE CODE v v v v v v v v v v
2622
2623	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2624	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2625	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2626	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2627	-font $expgui(histfont) \
2628	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2629	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2630	] -row 1 -column 0 -sticky news
2631	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2632	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2633	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2634	] -row 2 -column 0 -sticky ew
2635	grid [scrollbar $expgui(fracFrame).hs.y \
2636	-command "$expgui(fracFrame).hs.lbox yview"] \
2637	-row 1 -column 1 -sticky ns
2638	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2639	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2640	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2641	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2642	DisplayFrac
2643	}
2644	bind $expgui(fracFrame).hs.lbox <Button-3> {
2645	if $expgui(globalmode) {
2646	$expgui(fracFrame).hs.lbox selection set 0 end
2647	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2648	DisplayFrac
2649	}
2650	}
2651	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2652	# Create a large canvas area containing a frame for each phase in the data set.
2653	# The canvas and vertical scrollbar are inside a frame called f1
2654	if $expgui(havetix) {
2655	tixLabelFrame $expgui(fracFrame).f1.scaleBox \
2656	-borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2657	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2658	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox subwidget frame]
2659	} else {
2660	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2661	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2662	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2663	}
2664	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2665	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2666	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2667	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2668	button $expgui(scaleBox).but1 -text "Set Globally" \
2669	-command "editglobalparm histinfo scale {Scale Factor}"
2670
2671	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2672	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2673	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2674	-row 1 -column 3 -sticky news -padx 4 -pady 3
2675	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2676	-row 1 -column 4 -sticky w -padx 2 -pady 3
2677	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2678	grid $expgui(scaleBox).om \
2679	-row 1 -column 5 -sticky news -padx 4 -pady 3
2680	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2681
2682	grid [set expgui(FracBox) [canvas $expgui(fracFrame).f1.fracBox \
2683	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2684	-sticky news -row 1 -column 0
2685	grid [scrollbar $expgui(fracFrame).f1.yscroll -orient vertical] \
2686	-sticky ns -row 1 -column 1
2687
2688	$expgui(FracBox) config -yscrollcommand "$expgui(fracFrame).f1.yscroll set"
2689	$expgui(fracFrame).f1.yscroll config -command { $expgui(FracBox) yview }
2690
2691	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2692	grid rowconfigure $expgui(fracFrame).f1 0 -weight 1
2693	frame $expgui(FracBox).f -bd 0
2694	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2695
2696	# the rest of the page is created in DisplayFrac
2697	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2698	###############################################################################
2699	# v v v v v v v v v v BEGINNING OF PROFILE PANE CODE v v v v v v v v v v v v v
2700	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2701	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2702	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2703	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2704	-font $expgui(histfont) \
2705	-xscrollcommand "$expgui(profFrame).hs.x set" \
2706	-yscrollcommand "$expgui(profFrame).hs.y set" \
2707	] -row 1 -column 0 -sticky news
2708	lappend expgui(HistSelectList) $expgui(profFrame).hs
2709	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2710	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2711	] -row 2 -column 0 -sticky ew
2712	grid [scrollbar $expgui(profFrame).hs.y \
2713	-command "$expgui(profFrame).hs.lbox yview"] \
2714	-row 1 -column 1 -sticky ns
2715	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2716	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2717	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2718	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2719	DisplayProfile
2720	}
2721	bind $expgui(profFrame).hs.lbox <Button-3> {
2722	if $expgui(globalmode) {
2723	$expgui(profFrame).hs.lbox selection set 0 end
2724	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2725	DisplayProfile
2726	}
2727	}
2728
2729	# Create a large canvas area containing a frame for each phase in the data set.
2730	# The canvas and vertical scrollbar are inside a frame called f1
2731	pack [frame $expgui(profFrame).f1] -fill both -expand true
2732	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2733	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2734	-sticky news -row 0 -column 0
2735	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2736	-sticky ns -row 0 -column 1
2737
2738	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2739	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2740
2741	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2742	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2743	frame $expgui(ProfileBox).f -bd 0
2744	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2745
2746	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2747	##############################################################################
2748	# v v v v v v v v v v BEGINNING OF LS PANE CODE v v v v v v v v v v v v v
2749	array set printopts {
2750	0 "Print the reciprocal metric tensor changes"
2751	1 "Print the correlation matrix"
2752	2 "Print the Least-Squares matrices and vectors"
2753	4 "Print the linear constraint matrices"
2754	5 "Print the applied shifts and shift factors"
2755	6 "Print the reciprocal metric tensor Var-Covar terms"
2756	7 "Print all parameters for each cycle"
2757	8 "Print summary shift/esd data after last cycle"
2758	9 "Print zero/unit pole figure constraint terms"
2759	}
2760	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2761	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2762	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2763	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2764	-font $expgui(histfont) \
2765	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2766	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2767	] -row 1 -column 0 -sticky news
2768	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2769	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2770	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2771	] -row 2 -column 0 -sticky ew
2772	grid [scrollbar $expgui(lsFrame).hs.y \
2773	-command "$expgui(lsFrame).hs.lbox yview"] \
2774	-row 1 -column 1 -sticky ns
2775	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2776	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2777	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2778	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2779	SetupExtractHist
2780	}
2781	bind $expgui(lsFrame).hs.lbox <Button-3> {
2782	if $expgui(globalmode) {
2783	$expgui(lsFrame).hs.lbox selection set 0 end
2784	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2785	SetupExtractHist
2786	}
2787	}
2788
2789	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2790	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2791	set row 0
2792	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2793	grid [label $expgui(lsFrame).f1.his2 -relief sunken -bd 2 -pady 6 \
2794	-textvariable expgui(last_History)] \
2795	-row $row -column 1 -columnspan 5 -sticky w
2796	incr row
2797	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2798	grid [entry $expgui(lsFrame).f1.tit2 \
2799	-textvariable entryvar(title) -width 48] \
2800	-row $row -column 1 -columnspan 5 -sticky w
2801	set entrycmd(title) "expinfo title"
2802
2803	incr row
2804	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2805	-row $row -column 0 -columnspan 2 -pady 3
2806	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2807	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2808	-textvariable entryvar(cycles)] -row 0 -column 1
2809	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2810	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2811	] -row $row -column 2
2812	menu $expgui(lsFrame).f1.lprint.menu
2813	foreach num [lsort [array names printopts]] {
2814	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2815	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2816	-variable entryvar(printopt$num)
2817	}
2818	grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2819	grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2820	grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2821	incr row
2822	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove] -row $row -column 0 -columnspan 6
2823	foreach num {1 2 3 4 5 6 7 8 9} {
2824	grid [label $expgui(lsFrame).f1.a.l$num -text $num] -row 1 -column $num
2825	grid [radiobutton $expgui(lsFrame).f1.a.cc$num \
2826	-command "HistExtractSet $num" \
2827	-variable expgui(Fextract$num) -value 0] \
2828	-row 2 -column $num
2829	grid [radiobutton $expgui(lsFrame).f1.a.ca$num \
2830	-command "HistExtractSet $num" \
2831	-variable expgui(Fextract$num) -value 1] \
2832	-row 3 -column $num
2833	# grid [radiobutton $expgui(lsFrame).f1.a.cb$num \
2834	# -command "HistExtractSet $num" \
2835	# -variable expgui(Fextract$num) -value 2] \
2836	# -row 4 -column $num
2837	}
2838	set expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cc
2839	lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.ca
2840	#lappend expgui(ExtractSettingsRadiobuttons) $expgui(lsFrame).f1.a.cb
2841
2842	grid [label $expgui(lsFrame).f1.a.t -text "Intensity Extraction Method" -anchor c] \
2843	-column 0 -columnspan 11 -row 0
2844	grid [label $expgui(lsFrame).f1.a.t0 -text "Phase #" -anchor c] -column 0 -row 1
2845	grid [label $expgui(lsFrame).f1.a.t1 -text "Rietveld" -anchor c] -column 0 -row 2
2846	grid [label $expgui(lsFrame).f1.a.t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
2847	#grid [label $expgui(lsFrame).f1.a.t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
2848	grid [label $expgui(lsFrame).f1.a.t2a -text "(Model biased)" -anchor c] -column 10 -row 3
2849	#grid [label $expgui(lsFrame).f1.a.t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
2850	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2851	#-------------------------------------------------------------------------
2852	#-------------------------------------------------------------------------
2853	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
2854
2855	#---- file menu button
2856	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
2857	menu $expgui(fm).file.menu
2858	if $expgui(debug) {
2859	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
2860	-command "reset"
2861	}
2862	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
2863	-command readnewexp
2864	$expgui(fm).file.menu add command -label "Save" -underline 0 \
2865	-command savearchiveexp
2866	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
2867	-command "SaveAsFile"
2868	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
2869	-command {rereadexp $expgui(expfile)}
2870	#$expgui(fm).file.menu add command -label "Close" -underline 0
2871
2872	#---- help menu button
2873	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
2874	menu $expgui(fm).help.menu
2875	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
2876	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
2877
2878	#---- options menu button
2879	menubutton $expgui(fm).option -text Options -underline 0 \
2880	-menu $expgui(fm).option.menu
2881	menu $expgui(fm).option.menu
2882
2883	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
2884	-variable expgui(archive) -underline 0
2885
2886	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
2887	-label "Sort atoms by"
2888
2889	set expgui(asorttype) number
2890	menu $expgui(fm).option.menu.asort
2891	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2892	-label number -value number -variable expgui(asorttype)
2893	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2894	-label type -value type -variable expgui(asorttype)
2895	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2896	-label x -value x -variable expgui(asorttype)
2897	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2898	-label y -value y -variable expgui(asorttype)
2899	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
2900	-label z -value z -variable expgui(asorttype)
2901
2902
2903	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
2904	-label "Sort histograms by"
2905
2906	set expgui(hsorttype) number
2907	menu $expgui(fm).option.menu.hsort
2908	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2909	-label number -value number -variable expgui(hsorttype)
2910	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2911	-label "Histogram type" -value type -variable expgui(hsorttype)
2912	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2913	-label "Bank #" -value bank -variable expgui(hsorttype)
2914	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
2915	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
2916
2917	#---- Global mode menu button
2918	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
2919	-label "Multiple hist. selection"
2920	menu $expgui(fm).option.menu.editmode
2921	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
2922	-variable expgui(globalmode) -underline 0 -value 0\
2923	-command sethistlist
2924	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
2925	-variable expgui(globalmode) -underline 0 -value 6 \
2926	-command sethistlist
2927	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
2928	-variable expgui(globalmode) -underline 0 -value 1 \
2929	-command sethistlist
2930	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
2931	-variable expgui(globalmode) -underline 0 -value 2 \
2932	-command sethistlist
2933	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
2934	-variable expgui(globalmode) -underline 0 -value 3 \
2935	-command sethistlist
2936	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
2937	-variable expgui(globalmode) -underline 0 -value 4 \
2938	-command sethistlist
2939	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
2940	-variable expgui(globalmode) -underline 0 -value 5 \
2941	-command sethistlist
2942	set expgui(globalmode) 0
2943
2944	if {$tcl_platform(platform) != "windows"} {
2945	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
2946	-variable env(GSASBACKSPACE)
2947	}
2948	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
2949	-command "SaveOptions"
2950
2951	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
2952
2953	foreach menu $expgui(menunames) {
2954	set m [string tolower $menu]
2955	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
2956	-menu $expgui(fm).$m.menu] -side left
2957	menu $expgui(fm).$m.menu
2958	}
2959	pack $expgui(fm).help -side right -in $expgui(fm)
2960
2961	# add the commands in expgui_menulist
2962	foreach menu [array names expgui_menulist ] {
2963	foreach cmd $expgui_menulist($menu) {
2964	set action {}
2965	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2966	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2967	if {$action != "" && $action != "-"} {
2968	eval $expgui(fm).$menu.menu add command \
2969	-label $cmd -command [list [subst $action]]
2970	}
2971	}
2972	}
2973	# setup command help
2974	foreach cmd [array names expgui_cmdlist] {
2975	set help {}
2976	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
2977	if {$help == ""} {
2978	if {$expgui(debug)} {puts "no help for $cmd"}
2979	} else {
2980	# remove
2981	regsub -all \x09 $help " " help
2982	# preserve blank lines
2983	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
2984	regsub -all \x0A $help " " help
2985	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
2986	regsub -all " +" $help " " help
2987	set expgui_helplist($cmd) [string trim $help]
2988	}
2989	}
2990	# set up button bar
2991	foreach cmd $expgui(buttonlist) {
2992	set action {}
2993	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
2994	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
2995	if {$action != ""} {
2996	pack [eval button .bar.$cmd -bg beige \
2997	-text $cmd -command [list [subst $action]]] -side left
2998	}
2999	}
3000
3001	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3002	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3003
3004
3005	# handle indirect exits
3006	wm protocol . WM_DELETE_WINDOW catchQuit
3007	bind . <Control-c> catchQuit
3008
3009	set expgui(curPhase) ""
3010	set expgui(pagenow) ""
3011	set expgui(curhist) {}
3012	set expgui(selectedatomlist) {}
3013
3014	loadexp $expgui(expfile)
3015
3016	# select the 1st phase
3017	SelectOnePhase [lindex $expmap(phaselist) 0]
3018	# select the first histogram in the list by default (if there are any)
3019	if {[llength $expmap(histlistboxcontents)] > 0} {
3020	set expgui(curhist) 0
3021	} else {
3022	set expgui(curhist) {}
3023	}
3024
3025	if !$expgui(havetix) {
3026	RaisePage lsFrame
3027	} else {
3028	.n raise lsPane
3029	set expgui(pagenow) lsFrame
3030	}

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